2-(2-hex-1-ynylphenyl)terephthalic acid

Systemtic Name: 2-(2-hex-1-ynylphenyl)terephthalic acid Openeye Name: 2-(2-hex-1-ynylphenyl)terephthalic acid CAS Name: 2-(2-hex-1-ynylphenyl)terephthalic acid IUPAC Name: 2-(2-hex-1-ynylphenyl)terephthalic acid Traditional Name: 2-(2-hex-1-ynylphenyl)terephthalic acid Formula: C20H18O4 MolecularWeight: 322.35452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC=CC=C1C2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC#CC1=CC=CC=C1C2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C20H18O4/c1-2-3-4-5-8-14-9-6-7-10-16(14)18-13-15(19(21)22)11-12-17(18)20(23)24/h6-7,9-13H,2-4H2,1H3,(H,21,22)(H,23,24)